Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4u0i_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 2.A ND2 ASN 151.A OD1 no hydrogen 2.369 N/A TYR 4.A N GLY 1.A O no hydrogen 3.047 N/A THR 10.A N ASP 8.A OD1 no hydrogen 3.242 N/A THR 10.A OG1 ASP 8.A OD1 no hydrogen 2.905 N/A THR 10.A OG1 ASP 8.A OD2 no hydrogen 3.417 N/A GLN 11.A N ASP 8.A O no hydrogen 2.792 N/A LEU 12.A N PRO 9.A O no hydrogen 3.194 N/A TYR 14.A OH GLU 19.A OE2 no hydrogen 2.891 N/A LYS 17.A N ASP 15.A OD1 no hydrogen 2.790 N/A LYS 17.A NZ ASP 15.A OD2 no hydrogen 2.919 N/A TRP 18.A NE1 SER 78.A OG no hydrogen 2.664 N/A GLU 19.A N HIS 16.A O no hydrogen 3.004 N/A PHE 20.A N ALA 92.A O no hydrogen 2.762 N/A ARG 22.A NE ILE 95.A O no hydrogen 3.307 N/A ARG 22.A NH1 ILE 95.A O no hydrogen 2.704 N/A ARG 22.A NH1 PRO 98.A O no hydrogen 3.121 N/A ARG 22.A NH2 PRO 98.A O no hydrogen 2.846 N/A ARG 24.A N PRO 21.A O no hydrogen 3.010 N/A LEU 25.A N ARG 22.A O no hydrogen 3.324 N/A SER 26.A N THR 43.A O no hydrogen 2.864 N/A GLY 28.A N GLU 41.A O no hydrogen 2.732 N/A LEU 31.A N VAL 39.A O no hydrogen 2.541 N/A GLY 32.A N VAL 39.A O no hydrogen 3.130 N/A GLY 34.A N GLY 37.A O no hydrogen 2.746 N/A LYS 38.A N MET 57.A O no hydrogen 3.199 N/A VAL 39.A N GLY 32.A O no hydrogen 2.766 N/A VAL 40.A N VAL 55.A O no hydrogen 2.791 N/A GLU 41.A N LYS 29.A O no hydrogen 2.805 N/A ALA 42.A N VAL 53.A O no hydrogen 2.969 N/A THR 43.A N SER 26.A O no hydrogen 2.733 N/A ALA 44.A N MET 51.A O no hydrogen 2.757 N/A TYR 45.A N ARG 24.A O no hydrogen 2.900 N/A GLY 46.A N ALA 49.A O no hydrogen 3.037 N/A MET 51.A N ALA 44.A O no hydrogen 2.895 N/A VAL 53.A N ALA 42.A O no hydrogen 2.961 N/A ALA 54.A N THR 103.A O no hydrogen 2.995 N/A VAL 55.A N VAL 40.A O no hydrogen 2.872 N/A LYS 56.A N VAL 101.A O no hydrogen 2.894 N/A LYS 56.A NZ GLU 73.A OE1 no hydrogen 2.619 N/A LYS 56.A NZ GLU 73.A OE2 no hydrogen 3.165 N/A LYS 56.A NZ ASP 174.A O no hydrogen 3.059 N/A LYS 56.A NZ PHE 175.A O no hydrogen 3.196 N/A MET 57.A N LYS 38.A O no hydrogen 3.051 N/A LEU 58.A N THR 99.A O no hydrogen 3.024 N/A LYS 59.A N PHE 36.A O no hydrogen 2.765 N/A LYS 59.A NZ GLY 34.A O no hydrogen 2.602 N/A LYS 59.A NZ ALA 35.A O no hydrogen 3.480 N/A SER 61.A OG ALA 35.A O no hydrogen 3.209 N/A ALA 62.A N LYS 59.A O no hydrogen 3.245 N/A HIS 63.A N GLU 66.A OE2 no hydrogen 2.700 N/A ARG 67.A N HIS 63.A O no hydrogen 3.078 N/A ARG 67.A NE THR 99.A OG1 no hydrogen 2.919 N/A ARG 67.A NH2 THR 94.A O no hydrogen 2.631 N/A GLU 68.A N LEU 64.A O no hydrogen 2.804 N/A ALA 69.A N THR 65.A O no hydrogen 3.094 N/A LEU 70.A N GLU 66.A O no hydrogen 2.909 N/A MET 71.A N ARG 67.A O no hydrogen 2.849 N/A SER 72.A N GLU 68.A O no hydrogen 2.854 N/A SER 72.A OG GLU 68.A O no hydrogen 3.366 N/A GLU 73.A N ALA 69.A O no hydrogen 2.966 N/A LEU 74.A N LEU 70.A O no hydrogen 2.990 N/A LYS 75.A N MET 71.A O no hydrogen 3.020 N/A LYS 75.A NZ LEU 12.A O no hydrogen 3.407 N/A VAL 76.A N SER 72.A O no hydrogen 2.925 N/A LEU 77.A N GLU 73.A O no hydrogen 2.989 N/A SER 78.A N LEU 74.A O no hydrogen 3.004 N/A TYR 79.A N LYS 75.A O no hydrogen 2.849 N/A TYR 79.A OH LYS 150.A O no hydrogen 2.608 N/A LEU 80.A N VAL 76.A O no hydrogen 2.745 N/A GLY 81.A N LEU 77.A O no hydrogen 3.015 N/A ASN 82.A ND2 LEU 89.A O no hydrogen 3.108 N/A VAL 87.A N ILE 172.A O no hydrogen 3.059 N/A ASN 88.A N GLU 104.A OE1 no hydrogen 2.837 N/A ASN 88.A ND2 HIS 83.A O no hydrogen 2.733 N/A ASN 88.A ND2 ILE 86.A O no hydrogen 2.588 N/A LEU 89.A N ASN 82.A OD1 no hydrogen 3.132 N/A LEU 90.A N ILE 102.A O no hydrogen 2.727 N/A GLY 91.A N ILE 102.A O no hydrogen 3.181 N/A ALA 92.A N TRP 18.A O no hydrogen 2.884 N/A CYS 93.A N LEU 100.A O no hydrogen 3.156 N/A CYS 93.A SG PHE 20.A O no hydrogen 3.262 N/A THR 94.A N GLU 19.A OE1 no hydrogen 2.709 N/A THR 94.A OG1 GLU 19.A OE1 no hydrogen 3.473 N/A THR 94.A OG1 GLU 19.A OE2 no hydrogen 2.991 N/A LEU 100.A N CYS 93.A O no hydrogen 3.046 N/A VAL 101.A N LYS 56.A O no hydrogen 2.757 N/A ILE 102.A N GLY 91.A O no hydrogen 2.923 N/A THR 103.A N ALA 54.A O no hydrogen 2.961 N/A THR 103.A OG1 GLU 104.A O no hydrogen 2.997 N/A GLU 104.A N ASN 88.A O no hydrogen 3.037 N/A TYR 108.A N LEU 164.A O no hydrogen 2.894 N/A GLY 109.A N CYS 106.A O no hydrogen 3.105 N/A LEU 111.A N ILE 162.A O no hydrogen 2.655 N/A LEU 112.A N ASP 110.A OD2 no hydrogen 3.045 N/A ASN 113.A N ASP 110.A OD2 no hydrogen 3.343 N/A PHE 114.A N ASP 110.A O no hydrogen 3.175 N/A LEU 115.A N LEU 111.A O no hydrogen 2.783 N/A ARG 116.A N LEU 112.A O no hydrogen 2.991 N/A ARG 116.A NE GLY 230.A O no hydrogen 3.013 N/A ARG 116.A NH1 GLY 230.A O no hydrogen 3.036 N/A ARG 117.A N ASN 113.A O no hydrogen 2.762 N/A LYS 118.A N PHE 114.A O no hydrogen 2.909 N/A LYS 118.A N LEU 115.A O no hydrogen 3.126 N/A LYS 118.A NZ LEU 126.A O no hydrogen 2.726 N/A ARG 119.A N ARG 116.A O no hydrogen 3.329 N/A ARG 119.A NH2 SER 231.A OG no hydrogen 3.307 N/A SER 121.A N LYS 118.A O no hydrogen 3.199 N/A SER 121.A OG LYS 118.A O no hydrogen 2.857 N/A PHE 122.A N ARG 119.A O no hydrogen 3.242 N/A ILE 123.A N LEU 128.A O no hydrogen 2.871 N/A ASP 129.A N ASP 132.A OD1 no hydrogen 2.815 N/A ASP 132.A N ASP 129.A OD1 no hydrogen 3.206 N/A LEU 133.A N ASP 129.A O no hydrogen 3.272 N/A LEU 134.A N LEU 130.A O no hydrogen 2.875 N/A SER 135.A N GLU 131.A O no hydrogen 2.817 N/A PHE 136.A N ASP 132.A O no hydrogen 2.956 N/A SER 137.A N LEU 133.A O no hydrogen 2.875 N/A SER 137.A OG.A LEU 133.A O no hydrogen 3.308 N/A SER 137.A OG.A LEU 134.A O no hydrogen 2.376 N/A SER 137.A OG.B LEU 133.A O no hydrogen 2.914 N/A TYR 138.A N LEU 134.A O no hydrogen 2.866 N/A GLN 139.A N SER 135.A O no hydrogen 2.975 N/A GLN 139.A NE2 SER 135.A O no hydrogen 3.420 N/A GLN 139.A NE2 SER 135.A OG no hydrogen 3.101 N/A GLN 139.A NE2 ARG 168.A O no hydrogen 3.146 N/A VAL 140.A N PHE 136.A O no hydrogen 2.955 N/A ALA 141.A N SER 137.A O no hydrogen 3.090 N/A LYS 142.A N TYR 138.A O no hydrogen 2.865 N/A GLY 143.A N GLN 139.A O no hydrogen 2.911 N/A MET 144.A N VAL 140.A O no hydrogen 2.943 N/A ALA 145.A N ALA 141.A O no hydrogen 2.750 N/A PHE 146.A N LYS 142.A O no hydrogen 3.051 N/A LEU 147.A N GLY 143.A O no hydrogen 2.977 N/A ALA 148.A N MET 144.A O no hydrogen 2.759 N/A SER 149.A N ALA 145.A O no hydrogen 2.926 N/A SER 149.A OG PHE 146.A O no hydrogen 2.733 N/A LYS 150.A N PHE 146.A O no hydrogen 3.082 N/A LYS 150.A N LEU 147.A O no hydrogen 3.058 N/A LYS 150.A NZ TYR 79.A O no hydrogen 3.228 N/A ASN 151.A N ALA 148.A O no hydrogen 2.802 N/A ASN 151.A ND2 ASN 2.A O no hydrogen 3.669 N/A CYS 152.A N LEU 147.A O no hydrogen 2.897 N/A HIS 154.A N ASP 215.A OD1 no hydrogen 2.799 N/A HIS 154.A NE2 CYS 173.A O no hydrogen 2.828 N/A ARG 155.A N ASP 215.A OD2 no hydrogen 3.039 N/A ASP 156.A N HIS 154.A ND1 no hydrogen 2.926 N/A ALA 159.A N GLU 225.A OE2 no hydrogen 2.882 N/A ARG 160.A NE TYR 187.A OH no hydrogen 2.884 N/A ARG 160.A NH1 ASP 156.A OD2 no hydrogen 3.141 N/A ASN 161.A N ALA 158.A O no hydrogen 2.859 N/A ASN 161.A ND2 ASP 156.A O no hydrogen 2.699 N/A ILE 162.A N ALA 159.A O no hydrogen 3.104 N/A LEU 163.A N LYS 171.A O no hydrogen 2.791 N/A LEU 164.A N GLY 109.A O no hydrogen 2.766 N/A THR 165.A N ILE 169.A O no hydrogen 2.892 N/A HIS 166.A N THR 165.A OG1 no hydrogen 2.642 N/A ARG 168.A NH1 LEU 126.A O no hydrogen 2.961 N/A ARG 168.A NH2 ALA 127.A O no hydrogen 3.364 N/A ARG 168.A NH2 ASP 132.A OD2 no hydrogen 2.805 N/A ILE 169.A N THR 165.A O no hydrogen 3.436 N/A THR 170.A N GLN 139.A OE1 no hydrogen 3.031 N/A LYS 171.A N LEU 163.A O no hydrogen 2.719 N/A LYS 171.A NZ HIS 83.A O no hydrogen 3.250 N/A LYS 171.A NZ MET 84.A O no hydrogen 3.120 N/A LYS 171.A NZ ILE 86.A O no hydrogen 3.187 N/A LYS 171.A NZ GLU 104.A OE1 no hydrogen 2.595 N/A LYS 171.A NZ GLU 104.A OE2 no hydrogen 3.440 N/A ILE 172.A N ASN 85.A O no hydrogen 3.120 N/A CYS 173.A N ASN 161.A O no hydrogen 3.043 N/A PHE 175.A N ASN 161.A OD1 no hydrogen 3.396 N/A ALA 178.A N PHE 175.A O no hydrogen 2.803 N/A ARG 179.A N GLY 176.A O no hydrogen 3.238 N/A ARG 179.A NH1 ASN 161.A OD1 no hydrogen 3.196 N/A ARG 179.A NH2 ASN 161.A OD1 no hydrogen 3.030 N/A ASN 183.A N ASP 180.A O no hydrogen 3.039 N/A ASN 183.A ND2 ASP 180.A OD2 no hydrogen 2.684 N/A ASN 186.A N ASP 184.A OD1 no hydrogen 2.934 N/A ASN 186.A ND2 ASP 184.A OD1 no hydrogen 2.914 N/A TYR 187.A N ASP 184.A O no hydrogen 3.189 N/A TYR 187.A OH ASP 156.A OD1 no hydrogen 2.477 N/A VAL 188.A N LEU 195.A O no hydrogen 2.767 N/A LYS 190.A N ALA 193.A O no hydrogen 2.705 N/A LYS 190.A NZ ILE 205.A O no hydrogen 3.131 N/A LEU 195.A N VAL 188.A O no hydrogen 2.843 N/A VAL 197.A N LEU 195.A O no hydrogen 2.889 N/A LYS 198.A NZ PRO 233.A O no hydrogen 3.058 N/A LYS 198.A NZ TYR 234.A O no hydrogen 2.780 N/A LYS 198.A NZ MET 237.A O no hydrogen 2.738 N/A TRP 199.A N PRO 196.A O no hydrogen 3.056 N/A TRP 199.A NE1 GLU 225.A OE2 no hydrogen 2.800 N/A MET 200.A N VAL 197.A O no hydrogen 2.910 N/A GLU 203.A N GLU 203.A OE1 no hydrogen 2.858 N/A SER 204.A N ALA 201.A O no hydrogen 2.800 N/A SER 204.A OG VAL 209.A O no hydrogen 2.422 N/A ILE 205.A N ALA 201.A O no hydrogen 2.981 N/A PHE 206.A N PRO 202.A O no hydrogen 2.796 N/A ASN 207.A N GLU 203.A O no hydrogen 2.900 N/A ASN 207.A ND2 GLU 203.A O no hydrogen 3.503 N/A CYS 208.A N SER 204.A O no hydrogen 2.811 N/A THR 211.A N SER 214.A OG no hydrogen 2.838 N/A THR 211.A OG1 GLU 213.A OE2 no hydrogen 2.895 N/A GLU 213.A N THR 211.A OG1 no hydrogen 3.004 N/A SER 214.A N THR 211.A O no hydrogen 3.232 N/A SER 214.A N THR 211.A OG1 no hydrogen 3.036 N/A SER 214.A OG THR 211.A O no hydrogen 3.043 N/A ASP 215.A N THR 211.A O no hydrogen 3.201 N/A VAL 216.A N PHE 212.A O no hydrogen 3.263 N/A TRP 217.A N GLU 213.A O no hydrogen 3.282 N/A SER 218.A N SER 214.A O no hydrogen 3.237 N/A SER 218.A OG TRP 199.A O no hydrogen 2.790 N/A SER 218.A OG SER 214.A O no hydrogen 3.400 N/A TYR 219.A N ASP 215.A O no hydrogen 2.924 N/A TYR 219.A OH SER 137.A O no hydrogen 2.662 N/A GLY 220.A N VAL 216.A O no hydrogen 3.010 N/A ILE 221.A N TRP 217.A O no hydrogen 3.080 N/A PHE 222.A N SER 218.A O no hydrogen 2.691 N/A LEU 223.A N TYR 219.A O no hydrogen 2.787 N/A TRP 224.A N GLY 220.A O no hydrogen 3.233 N/A TRP 224.A NE1 LEU 254.A O no hydrogen 3.089 N/A GLU 225.A N ILE 221.A O no hydrogen 2.979 N/A LEU 226.A N PHE 222.A O no hydrogen 2.883 N/A PHE 227.A N LEU 223.A O no hydrogen 2.897 N/A SER 228.A OG.A TRP 224.A O no hydrogen 2.847 N/A SER 228.A OG.A GLU 225.A O no hydrogen 3.200 N/A SER 228.A OG.B TRP 224.A O no hydrogen 2.785 N/A LEU 229.A N LEU 226.A O no hydrogen 2.929 N/A GLY 230.A N GLU 225.A O no hydrogen 2.776 N/A SER 231.A N SER 228.A O no hydrogen 3.274 N/A SER 231.A N SER 228.A OG.A no hydrogen 3.097 N/A SER 231.A OG SER 228.A O no hydrogen 3.057 N/A MET 237.A N TYR 234.A O no hydrogen 3.208 N/A PHE 243.A N ASP 240.A OD2 no hydrogen 3.081 N/A TYR 244.A N ASP 240.A O no hydrogen 3.009 N/A LYS 245.A N SER 241.A O no hydrogen 2.964 N/A MET 246.A N LYS 242.A O no hydrogen 2.837 N/A ILE 247.A N PHE 243.A O no hydrogen 3.069 N/A LYS 248.A N TYR 244.A O no hydrogen 3.189 N/A GLU 249.A N LYS 245.A O no hydrogen 3.075 N/A GLY 250.A N ILE 247.A O no hydrogen 3.189 N/A PHE 251.A N MET 246.A O no hydrogen 2.884 N/A ARG 252.A NE TRP 271.A O no hydrogen 2.912 N/A ARG 252.A NH1 ILE 247.A O no hydrogen 2.987 N/A ARG 252.A NH1 PHE 251.A O no hydrogen 2.801 N/A ARG 252.A NH2 TRP 271.A O no hydrogen 3.097 N/A SER 255.A OG PRO 256.A O no hydrogen 2.715 N/A ALA 259.A N PRO 256.A O no hydrogen 3.347 N/A TYR 264.A N PRO 260.A O no hydrogen 3.182 N/A TYR 264.A OH MET 253.A O no hydrogen 2.595 N/A ASP 265.A N ALA 261.A O no hydrogen 3.007 N/A ILE 266.A N GLU 262.A O no hydrogen 3.097 N/A MET 267.A N MET 263.A O no hydrogen 3.067 N/A LYS 268.A N TYR 264.A O no hydrogen 2.933 N/A THR 269.A N ASP 265.A O no hydrogen 2.968 N/A THR 269.A OG1 ASP 265.A O no hydrogen 3.449 N/A THR 269.A OG1 ILE 266.A O no hydrogen 2.725 N/A CYS 270.A N ILE 266.A O no hydrogen 2.877 N/A CYS 270.A SG VAL 216.A O no hydrogen 3.552 N/A CYS 270.A SG ILE 266.A O no hydrogen 3.248 N/A TRP 271.A N LYS 268.A O no hydrogen 3.021 N/A ASP 272.A N THR 269.A O no hydrogen 3.216 N/A ASP 274.A N ASP 272.A OD2 no hydrogen 2.665 N/A LEU 276.A N ASP 274.A OD2 no hydrogen 3.089 N/A LYS 277.A N ASP 274.A O no hydrogen 2.887 N/A LYS 277.A NZ ASP 274.A OD1 no hydrogen 2.750 N/A ARG 278.A N PRO 275.A O no hydrogen 3.219 N/A ARG 278.A NE ASP 272.A O no hydrogen 2.918 N/A ARG 278.A NH1 GLU 203.A OE2 no hydrogen 2.691 N/A ARG 278.A NH1 GLU 213.A O no hydrogen 2.917 N/A ARG 278.A NH2 GLU 203.A OE1 no hydrogen 2.992 N/A ARG 278.A NH2 GLU 203.A OE2 no hydrogen 3.507 N/A ARG 278.A NH2 ASP 272.A O no hydrogen 3.055 N/A THR 280.A N GLN 283.A OE1 no hydrogen 2.928 N/A GLN 283.A N THR 280.A OG1 no hydrogen 3.253 N/A ILE 284.A N THR 280.A O no hydrogen 3.081 N/A VAL 285.A N PHE 281.A O no hydrogen 2.952 N/A GLN 286.A N LYS 282.A O no hydrogen 3.348 N/A LEU 287.A N GLN 283.A O no hydrogen 3.105 N/A ILE 288.A N ILE 284.A O no hydrogen 2.873 N/A GLU 289.A N VAL 285.A O no hydrogen 2.843 N/A LYS 290.A N GLN 286.A O no hydrogen 3.216 N/A GLN 291.A N LEU 287.A O no hydrogen 3.091 N/A ILE 292.A N ILE 288.A O no hydrogen 2.880 N/A SER 293.A N GLU 289.A O no hydrogen 3.257 N/A GLU 294.A N LYS 290.A O no hydrogen 2.920 N/A SER 295.A N GLN 291.A O no hydrogen 2.804 N/A SER 295.A OG GLN 291.A O no hydrogen 3.172 N/A THR 296.A N SER 293.A O no hydrogen 3.051 N/A THR 296.A OG1 GLU 131.A OE2 no hydrogen 3.143 N/A THR 296.A OG1 ILE 292.A O no hydrogen 2.726 N/A